⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4379813 | 0.88 | — | — | |
| SCHEMBL4376138 | 0.80 | HRH3 (0.32) | — | |
| SCHEMBL4385141 | 0.80 | HRH3 (0.34) | — | |
| SCHEMBL7991392 | 0.79 | HRH3 (0.33) | — | |
| SCHEMBL9999610 | 0.78 | — | — | |
| SCHEMBL7991263 | 0.78 | HRH3 (0.33) | — | |
| SCHEMBL4385056 | 0.77 | HRH3 (0.32) | — | |
| SCHEMBL7977343 | 0.76 | HRH3 (0.32) | — | |
| SCHEMBL8934762 | 0.76 | — | — | |
| SCHEMBL9999598 | 0.76 | HRH3 (0.36) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012014898-A1 | LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT | 日産化学工業株式会社 (JP) | 2012-02-02 | — | — | WO | disclosed |
| WO-2011132751-A1 | LIQUID-CRYSTAL ALIGNMENT AGENT, LIQUID-CRYSTAL ALIGNMENT FILM, AND LIQUID-CRYSTAL DISPLAY ELEMENT | 日産化学工業株式会社 (JP) | 2011-10-27 | — | — | WO | disclosed |